============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 4 1.000 24.920 -32.122 -14.168 -99.200 -91.000 PHE 6 1.000 31.612 -32.587 -17.656 -99.200 -91.000 PHE 9 1.000 35.193 -33.657 -9.161 -99.200 -91.000 PHE 11 1.000 29.403 -30.811 -12.034 -99.200 -91.000 HIS 38 0.900 23.015 -26.779 -20.067 -99.200 -91.000 TYR 41 0.840 23.503 -17.904 -9.818 -99.200 -91.000 PHE 44 1.000 25.168 -26.960 -11.545 -99.200 -91.000 PHE 83 1.000 28.680 -27.921 -15.430 -99.200 -91.000 PHE 98 1.000 41.318 -37.035 -26.232 -99.200 -91.000 HIS 105 0.900 31.671 -36.545 -21.306 -99.200 -91.000 HIS 110 0.900 43.560 -30.611 -25.356 -99.200 -91.000 PHE 111 1.000 41.451 -27.484 -22.091 -99.200 -91.000 PHE 119 1.000 44.711 -25.626 -13.973 -99.200 -91.000 TRP 122 1.040 40.295 -19.178 -15.230 -99.200 -91.000 TRP6 122 1.020 38.513 -20.215 -16.427 -99.200 -91.000 HIS 126 0.900 45.581 -7.840 -4.394 -99.200 -91.000